Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102090019
Common Name1,8-Cineol (W)
Systematic Name-
Synonyms-
Exact Mass
154.1358 (neutral)    Calculate m/z:
FormulaC10H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID2758
KEGG IDC09844
HMDB IDHMDB0004472
CHEBI ID27961
CAYMAN ID22183
InChIKeyWEEGYLXZBRQIMU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILESC12(C)CCC(CC1)C(C)(C)O2
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
161.83Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.32Molar
Refractivity
46.55